
 OpenBabel04291915363D

 22 22  0  0  1  0  0  0  0  0999 V2000
    0.9607    0.0344    0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4807    0.0344    0.0853 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8373    0.4117    1.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9873    0.9174   -1.0434 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6307    1.9163   -0.9024 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5073    0.9174   -1.0434 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8640   -0.0815   -1.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.7783   -2.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.4179    0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9530    1.6792    0.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7508    0.7553    0.1870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4027    2.9385    0.4953 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9807    1.4181    0.1982 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5140    0.4167   -2.2851 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540   -1.2913   -0.1019 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6040   -0.5872    0.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6040   -0.3429   -0.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6836    2.1444   -2.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3239    3.1081    0.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6573    2.3237    0.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8373   -0.4889   -2.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6307   -1.6333   -0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  1  0  0  0
  2 15  1  0  0  0  0
  4 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  1  1  0  0  0
  6 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  6  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <SKU>
A10840

>  <Product Name>
Shikimic acid (Shikimate)

>  <CAS>
138-59-0 

>  <M.Wt>
174.1513

>  <Formula>
C7H10O5

>  <Synonyms>
Shikimate, Bracken fern toxic component, L-Shikimic acid

>  <URL>
https://www.adooq.com/shikimic-acid-shikimate.html

$$$$
